5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide

C24H23N3O4 — CID 162371718

IUPAC5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide
SMILESO=C(CCCCOc1cc2[nH]c(=O)c(Cc3ccccc3)nc2c2ccccc12)NO
InChIInChI=1S/C24H23N3O4/c28-22(27-30)12-6-7-13-31-21-15-19-23(18-11-5-4-10-17(18)21)25-20(24(29)26-19)14-16-8-2-1-3-9-16/h1-5,8-11,15,30H,6-7,12-14H2,(H,26,29)(H,27,28)
InChIKeyFECJTCUPSUCMND-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.72
Rot. Bonds8

About 5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide

5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide (PubChem CID 162371718) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide
PubChem CID162371718
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide
SMILESO=C(CCCCOc1cc2[nH]c(=O)c(Cc3ccccc3)nc2c2ccccc12)NO
InChIInChI=1S/C24H23N3O4/c28-22(27-30)12-6-7-13-31-21-15-19-23(18-11-5-4-10-17(18)21)25-20(24(29)26-19)14-16-8-2-1-3-9-16/h1-5,8-11,15,30H,6-7,12-14H2,(H,26,29)(H,27,28)
InChIKeyFECJTCUPSUCMND-UHFFFAOYSA-N
XLogP3.72
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide
CID 162371716
N-hydroxy-6-(2-oxochromen-4-yl)oxyhexanamide
CID 169095175
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide
CID 39379617
N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide
CID 175916850
N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide
CID 23874761
7-(3-ethylphenoxy)-N-hydroxyheptanamide
CID 39364757
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide
CID 122182514
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid
CID 10634935

Frequently Asked Questions

What is the IUPAC name of 5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide?
The IUPAC name of 5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide (CID 162371718) is 5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide.
What is the SMILES notation for 5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide?
The canonical SMILES for 5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide is O=C(CCCCOc1cc2[nH]c(=O)c(Cc3ccccc3)nc2c2ccccc12)NO.
What is the InChIKey of 5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide?
The InChIKey is FECJTCUPSUCMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-22(27-30)12-6-7-13-31-21-15-19-23(18-11-5-4-10-17(18)21)25-20(24(29)26-19)14-16-8-2-1-3-9-16/h1-5,8-11,15,30H,6-7,12-14H2,(H,26,29)(H,27,28).
What are the key properties of 5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide?
5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide has a molecular weight of 417.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-benzyl-3-oxo-4H-benzo[f]quinoxalin-6-yl)oxy]-N-hydroxypentanamide is sourced from PubChem (CID 162371718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).